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DocumentationIdentifier: MM239719
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM239719 |
| SMILES |
CC(C)(C=O)CCN=CN
|
| InChIKey |
ZFAHAHVHZGSHSF-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM257933
Similarity: 0.65
Similarity to MM257933
| Tanimoto metric | 0.65 |
|---|---|
| Cosine metric | 0.7886 |
| Dice metric | 0.7879 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348509
Similarity: 0.6436
Similarity to MM348509
| Tanimoto metric | 0.6436 |
|---|---|
| Cosine metric | 0.784 |
| Dice metric | 0.7831 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM233930
Similarity: 0.5922
Similarity to MM233930
| Tanimoto metric | 0.5922 |
|---|---|
| Cosine metric | 0.7444 |
| Dice metric | 0.7439 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+139 more
